TMP

Macromolecular | Case

Theoretical Modeling of Polymers

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Mini Computer Cluster

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Recent Publications

Effect of Orientational Specificity of Complexation on the Behavior of Supramolecular Polymers: Theory and Simulation

Matthew C. Hagy, Chun-Chung Chen, and Elena E. Dormidontova

Macromolecules 40 (2007), 3408-3421. DOI: 10.1021/ma062146+ PDF

 

Monte Carlo Simulations of End-Adsorption of Head-to-Tail Reversibly Associated Polymers
Chun-Chung Chen and Elena E. Dormidontova
Macromolecules 39 (2006), 9528-9538. DOI: 10.1021/ma061236b PDF

Architectural and Structural Optimization of the Protective Polymer Layer for Enhanced Targeting
Chun-Chung Chen and Elena E. Dormidontova
Langmuir 21 (2005), 5605-5615. DOI: 10.1021/la047109v PDF

Supramolecular Polymer Formation by Metal-Ligand Complexation: Monte Carlo Simulations and Analytical Modeling
Chun-Chung Chen and Elena E. Dormidontova
Journal of the American Chemical Society 126 (2004), 14972-149782. DOI: 10.1021/ja047521x PDF

Influence of End Groups on Phase Behavior and Properties of PEO in Aqueous Solutions
Elena E. Dormidontova
Macromolecules 37 (2004), 7747-7761.  DOI: 10.1021/ma035609+ PDF

Ring-chain equilibrium in reversibly associated polymer solutions: Monte Carlo simulations
Chun-Chung Chen and Elena E. Dormidontova
Macromolecules 37 (2004), 3905–3917. DOI: 10.1021/ma035405t PDF

Role of Competitive PEO-Water and Water-Water Hydrogen Bonding in Aqueous Solution PEO Behavior
Elena E. Dormidontova
Macromolecules 35 (2002), 987-1001.  DOI: 10.1021/ma010804e PDF

 

Some other publications

 

The Order-Disorder Transition and the Disordered Micelle Regime in Sphere-Forming Block Copolymer Melts

Elena E. Dormidontova and Timothy P. Lodge

Macromolecules 34 (2001), 9143-9155. DOI: 10.1021/ma010098h PDF

 

Micellization Kinetics in Block Copolymer Solutions: Scaling Model

Elena E. Dormidontova

Macromolecules 32 (1999), 7630-7644. DOI: 10.1021/ma9809029 PDF

 

Phase Behavior of Hydrogen-Bonding Polymer-Oligomer Mixtures

Elena Dormidontova and Gerrit ten Brinke

Macromolecules 31 (1998), 2649-2660. DOI: 10.1021/ma9710904 PDF

 

Preprints

Theoretical and Computer Modeling of Supramolecular Polymers [preprint]
Chun-Chung Chen and Elena E. Dormidontova
40th IUPAC World Polymer Congress, July 4-9, 2004, Paris, France. Symp. 2.4 oral

Optimization of Targeting for Gene Delivery: Computer Modeling [preprint]
Chun-Chung Chen and Elena E. Dormidontova
40th IUPAC World Polymer Congress, July 4-9, 2004, Paris, France. Symp. 5.3 poster

Computer modeling of reversible adsorption of head-to-tail associating polymers
[preprint]
Elena E. Dormidontova and Chun-Chung Chen
Polymeric Materials: Science & Engineering 2004, 90, 370.

Computer modeling of reversible association in metallo-supramolecular polymers [preprint]
Chun-Chung Chen and Elena E. Dormidontova
Polymer Preprints 2004, 45(1), 391.

Monte Carlo Simulations of Polymer Brushes Formed by Reversible Head-to-Tail Associating Polymers
Chun-Chung Chen and Elena E. Dormidontova
APS March Meeting 2004, Montreal, Quebec, Canada. V31.010

Hydrogen Bonding in Aqueous Solutions of PEO: Theoretical Insights
Elena E. Dormidontova
APS March Meeting 2004, Montreal, Quebec, Canada. P4.002

Theoretical modeling of reversibly associated polymers [poster]
Chun-Chung Chen and Elena Dormidontova
Research ShowCASE 2003, April 4, 2003, Case Western Reserve University.

Talks

John Carroll University December 8, 2004